3-amino-2-hydroxynaphthalene-1-carbaldehyde

C11H9NO2 — CID 54562305

IUPAC3-amino-2-hydroxynaphthalene-1-carbaldehyde
SMILESNc1cc2ccccc2c(C=O)c1O
InChIInChI=1S/C11H9NO2/c12-10-5-7-3-1-2-4-8(7)9(6-13)11(10)14/h1-6,14H,12H2
InChIKeyMYPLYJOPEULBDJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.94
Rot. Bonds1

About 3-amino-2-hydroxynaphthalene-1-carbaldehyde

3-amino-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 54562305) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-amino-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-amino-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID54562305
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-amino-2-hydroxynaphthalene-1-carbaldehyde
SMILESNc1cc2ccccc2c(C=O)c1O
InChIInChI=1S/C11H9NO2/c12-10-5-7-3-1-2-4-8(7)9(6-13)11(10)14/h1-6,14H,12H2
InChIKeyMYPLYJOPEULBDJ-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-amino-2-hydroxynaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 3-amino-2-hydroxynaphthalene-1-carbaldehyde (CID 54562305) is 3-amino-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-amino-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 3-amino-2-hydroxynaphthalene-1-carbaldehyde is Nc1cc2ccccc2c(C=O)c1O.
What is the InChIKey of 3-amino-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is MYPLYJOPEULBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-10-5-7-3-1-2-4-8(7)9(6-13)11(10)14/h1-6,14H,12H2.
What are the key properties of 3-amino-2-hydroxynaphthalene-1-carbaldehyde?
3-amino-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 54562305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).